1-(4-oxocyclohexyl)propan-2-yl carbamate

C10H17NO3 — CID 174220891

IUPAC1-(4-oxocyclohexyl)propan-2-yl carbamate
SMILESCC(CC1CCC(=O)CC1)OC(N)=O
InChIInChI=1S/C10H17NO3/c1-7(14-10(11)13)6-8-2-4-9(12)5-3-8/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyZDMNWVFHEIKXRM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-oxocyclohexyl)propan-2-yl carbamate

1-(4-oxocyclohexyl)propan-2-yl carbamate (PubChem CID 174220891) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(4-oxocyclohexyl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(4-oxocyclohexyl)propan-2-yl carbamate
PubChem CID174220891
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(4-oxocyclohexyl)propan-2-yl carbamate
SMILESCC(CC1CCC(=O)CC1)OC(N)=O
InChIInChI=1S/C10H17NO3/c1-7(14-10(11)13)6-8-2-4-9(12)5-3-8/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyZDMNWVFHEIKXRM-UHFFFAOYSA-N
XLogP1.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxocyclohexyl)propan-2-yl carbamate?
The IUPAC name of 1-(4-oxocyclohexyl)propan-2-yl carbamate (CID 174220891) is 1-(4-oxocyclohexyl)propan-2-yl carbamate.
What is the SMILES notation for 1-(4-oxocyclohexyl)propan-2-yl carbamate?
The canonical SMILES for 1-(4-oxocyclohexyl)propan-2-yl carbamate is CC(CC1CCC(=O)CC1)OC(N)=O.
What is the InChIKey of 1-(4-oxocyclohexyl)propan-2-yl carbamate?
The InChIKey is ZDMNWVFHEIKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(14-10(11)13)6-8-2-4-9(12)5-3-8/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 1-(4-oxocyclohexyl)propan-2-yl carbamate?
1-(4-oxocyclohexyl)propan-2-yl carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxocyclohexyl)propan-2-yl carbamate is sourced from PubChem (CID 174220891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).